7FPI

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10C11 from the F2X-Universal Library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999900
Spacegroup name	C 1 2 1
Unit cell lengths	87.776, 81.694, 93.302
Unit cell angles	90.00, 108.50, 90.00

Refinement procedure

Resolution	44.360 - 1.630
R-factor	0.2175
Rwork	0.216
R-free	0.25930
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.360	44.360	44.360
High resolution limit [Å]	1.630	4.850	1.630
Rmerge		0.043	3.677
Rmeas	0.073	0.047	3.984
Total number of observations	535334	20780	82142
Number of reflections	77968	3021	12184
<I/σ(I)>	10.74	39.65	0.4
Completeness [%]	99.3	99.1	96.4
Redundancy	6.87	6.88	6.74
CC(1/2)	0.999	0.997	0.281

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	19% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate